methyl 3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-(1-methyl-2-oxo-3-pyridyl)phenyl]propanoate CAS Name: 3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-keto-1-methyl-3-pyridyl)phenyl]propionic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CN(C2=O)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CN(C2=O)C)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)28-20(26)22-17(19(25)27-5)13-14-8-10-15(11-9-14)16-7-6-12-23(4)18(16)24/h6-12,17H,13H2,1-5H3,(H,22,26)